CHEBI:64267 - 5-methyltetrahydrosarcinapterin(4−)

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ChEBI Name 5-methyltetrahydrosarcinapterin(4−)
ChEBI ID CHEBI:64267
ChEBI ASCII Name 5-methyltetrahydrosarcinapterin(4-)
Definition A tricarboxylic acid anion obtained by deprotonation of the carboxy and phosphate groups of 5-methyltetrahydrosarcinapterin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C36H50N7O19P
Net Charge -4
Average Mass 915.79150
Monoisotopic Mass 915.29210
InChI InChI=1S/C36H54N7O19P/c1-15(26-16(2)39-31-27(43(26)3)33(54)42-36(37)41-31)38-18-6-4-17(5-7-18)12-20(44)28(50)21(45)13-59-35-30(52)29(51)23(61-35)14-60-63(57,58)62-22(9-11-25(48)49)32(53)40-19(34(55)56)8-10-24(46)47/h4-7,15-16,19-23,26,28-30,35,38,44-45,50-52H,8-14H2,1-3H3,(H,40,53)(H,46,47)(H,48,49)(H,55,56)(H,57,58)(H4,37,39,41,42,54)/p-4/t15-,16+,19+,20+,21-,22+,23-,26+,28+,29-,30-,35+/m1/s1
InChIKey DVZXLRSUEMKBID-XVKAKHOPSA-J
SMILES [H][C@]1([C@@H](C)Nc2ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]3O)cc2)[C@H](C)Nc2nc(N)[nH]c(=O)c2N1C
ChEBI Ontology
Outgoing 5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267) is a organophosphate oxoanion (CHEBI:58945)
5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267) is a tricarboxylic acid anion (CHEBI:35753)
5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267) is conjugate base of 5-methyltetrahydrosarcinapterin (CHEBI:64289)
Incoming 5-methyltetrahydrosarcinapterin (CHEBI:64289) is conjugate acid of 5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267)
IUPAC Name
1-[4-({(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxobutan-2-yl]oxy}phosphinato)-α-DD-ribofuranosyl]-1-deoxy-D-ribitol
Synonyms Sources
5-methyl-5,6,7,8-tetrahydrosarcinapterin(4−) ChEBI
5-methyltetrahydrosarcinapterin UniProt
5-methyltetrahydrosarcinapterin tetraanion ChEBI
Manual Xref Database
CPD-9 MetaCyc
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Last Modified
26 February 2015